TL;DR: 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine (CAS 1002033-43-3) is a chemical compound with molecular formula C10H9Cl2N3 and molecular weight 241.01735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine
Also Known As: 1-(2,6-dichlorobenzyl)-1H-pyrazol-3-amine, 1-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine, 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine, 1-(2,6-Dichloro-benzyl)-1H-pyrazol-3-ylamine, 1-(2,6-Dichloro-benzyl)-1 H -pyrazol-3-ylamine
| Molecular Formula | C10H9Cl2N3 |
| Molecular Weight | 241.01735 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.01735 Da |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)N)Cl |
| InChIKey | CUAVHUBZJSMRCV-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine. With a topological polar surface area (TPSA) of 43.8 Ų, 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine is 1002033-43-3.
The molecular formula of 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine is C10H9Cl2N3.
The molecular weight of 1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-amine is 241.01735 g/mol.
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